2-[1-(2-cyanophenyl)-1-(3,5-dimethylpyrazin-2-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide

C25H23N7O4 — CID 166100173

About 2-[1-(2-cyanophenyl)-1-(3,5-dimethylpyrazin-2-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide

2-[1-(2-cyanophenyl)-1-(3,5-dimethylpyrazin-2-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide (PubChem CID 166100173) has the molecular formula C25H23N7O4 and a molecular weight of 485.50 g/mol. Its IUPAC name is 2-[1-(2-cyanophenyl)-1-(3,5-dimethylpyrazin-2-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide.

Molecular Properties

• Compound Name: 2-[1-(2-cyanophenyl)-1-(3,5-dimethylpyrazin-2-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
• PubChem CID: 166100173
• Molecular Formula: C25H23N7O4
• Molecular Weight: 485.50 g/mol
• Exact Mass: 485.18
• IUPAC Name: 2-[1-(2-cyanophenyl)-1-(3,5-dimethylpyrazin-2-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
• SMILES: Cc1cnc(C(c2ccccc2C#N)C(C)c2nc(C(=O)Nc3cnoc3)c(O)c(=O)n2C)c(C)n1
• InChI: InChI=1S/C25H23N7O4/c1-13-10-27-20(15(3)29-13)19(18-8-6-5-7-16(18)9-26)14(2)23-31-21(22(33)25(35)32(23)4)24(34)30-17-11-28-36-12-17/h5-8,10-12,14,19,33H,1-4H3,(H,30,34)
• InChIKey: RNMGDEZLOFHLLP-UHFFFAOYSA-N
• XLogP: 2.94
• TPSA: 159.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.50
LogP ≤ 5	2.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-cyanophenyl)-1-(3,5-dimethylpyrazin-2-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide?

The IUPAC name of 2-[1-(2-cyanophenyl)-1-(3,5-dimethylpyrazin-2-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide (CID 166100173) is 2-[1-(2-cyanophenyl)-1-(3,5-dimethylpyrazin-2-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide.

What is the SMILES notation for 2-[1-(2-cyanophenyl)-1-(3,5-dimethylpyrazin-2-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide?

The canonical SMILES for 2-[1-(2-cyanophenyl)-1-(3,5-dimethylpyrazin-2-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide is Cc1cnc(C(c2ccccc2C#N)C(C)c2nc(C(=O)Nc3cnoc3)c(O)c(=O)n2C)c(C)n1.

What is the InChIKey of 2-[1-(2-cyanophenyl)-1-(3,5-dimethylpyrazin-2-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide?

The InChIKey is RNMGDEZLOFHLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7O4/c1-13-10-27-20(15(3)29-13)19(18-8-6-5-7-16(18)9-26)14(2)23-31-21(22(33)25(35)32(23)4)24(34)30-17-11-28-36-12-17/h5-8,10-12,14,19,33H,1-4H3,(H,30,34).

What are the key properties of 2-[1-(2-cyanophenyl)-1-(3,5-dimethylpyrazin-2-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide?

2-[1-(2-cyanophenyl)-1-(3,5-dimethylpyrazin-2-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide has a molecular weight of 485.50 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(2-cyanophenyl)-1-(3,5-dimethylpyrazin-2-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide is sourced from PubChem (CID 166100173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).